9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole

C61H48N4O2 — CID 169066036

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5CN(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)c5oc6ccccc6c5c4)cc32)c1
InChIInChI=1S/C61H48N4O2/c1-60(2,3)39-31-32-62-56(33-39)65-50-23-13-10-19-43(50)44-28-27-40(35-53(44)65)66-41-34-47-45-20-11-16-26-55(45)67-59(47)54(36-41)63-37-64(52-25-15-14-24-51(52)63)58-42(38-17-7-6-8-18-38)29-30-49-57(58)46-21-9-12-22-48(46)61(49,4)5/h6-36H,37H2,1-5H3
InChIKeyKOURKFKTGUMWCC-UHFFFAOYSA-N
MW869.08 g/mol
LogP16.39
Rot. Bonds6

About 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole

9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole (PubChem CID 169066036) has the molecular formula C61H48N4O2 and a molecular weight of 869.08 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole
PubChem CID169066036
Molecular FormulaC61H48N4O2
Molecular Weight869.08 g/mol
Exact Mass868.38
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5CN(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)c5oc6ccccc6c5c4)cc32)c1
InChIInChI=1S/C61H48N4O2/c1-60(2,3)39-31-32-62-56(33-39)65-50-23-13-10-19-43(50)44-28-27-40(35-53(44)65)66-41-34-47-45-20-11-16-26-55(45)67-59(47)54(36-41)63-37-64(52-25-15-14-24-51(52)63)58-42(38-17-7-6-8-18-38)29-30-49-57(58)46-21-9-12-22-48(46)61(49,4)5/h6-36H,37H2,1-5H3
InChIKeyKOURKFKTGUMWCC-UHFFFAOYSA-N
XLogP16.39
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]-5-pyridin-4-ylphenoxy]carbazole
CID 169065932
2-[3-[3-[3-(3-tert-butyl-5-phenylphenyl)-9,9-dimethylfluoren-4-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 169065966
9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine
CID 169065994
9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
CID 176783710
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
CID 158770762
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-1-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169065936
10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-phenylphenoxy]-[1]benzofuro[3,2-b]indole
CID 168857753
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3,6-ditert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 172545914
2-[3-[3-[4-[2-tert-butyl-9-(4-tert-butylphenyl)fluoren-9-yl]-2,6-diphenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 172545696
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 165150142
14-[2,6-bis(3,5-diphenylphenyl)phenyl]-4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16)-hexaene
CID 155616582

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole (CID 169066036) is 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5CN(c6c(-c7ccccc7)ccc7c6-c6ccccc6C7(C)C)c6ccccc65)c5oc6ccccc6c5c4)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole?
The InChIKey is KOURKFKTGUMWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N4O2/c1-60(2,3)39-31-32-62-56(33-39)65-50-23-13-10-19-43(50)44-28-27-40(35-53(44)65)66-41-34-47-45-20-11-16-26-55(45)67-59(47)54(36-41)63-37-64(52-25-15-14-24-51(52)63)58-42(38-17-7-6-8-18-38)29-30-49-57(58)46-21-9-12-22-48(46)61(49,4)5/h6-36H,37H2,1-5H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole has a molecular weight of 869.08 g/mol, XLogP of 16.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]dibenzofuran-2-yl]oxycarbazole is sourced from PubChem (CID 169066036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).